2-[[4-(oxiran-2-ylmethoxy)cyclohexen-1-yl]oxymethyl]oxirane

C12H18O4 — CID 22186302

IUPAC2-[[4-(oxiran-2-ylmethoxy)cyclohexen-1-yl]oxymethyl]oxirane
SMILESC1=C(OCC2CO2)CCC(OCC2CO2)C1
InChIInChI=1S/C12H18O4/c1-2-10(14-6-12-8-16-12)4-3-9(1)13-5-11-7-15-11/h1,10-12H,2-8H2
InChIKeyBBEAHXXUYVGKPR-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.25
Rot. Bonds6

About 2-[[4-(oxiran-2-ylmethoxy)cyclohexen-1-yl]oxymethyl]oxirane

2-[[4-(oxiran-2-ylmethoxy)cyclohexen-1-yl]oxymethyl]oxirane (PubChem CID 22186302) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-[[4-(oxiran-2-ylmethoxy)cyclohexen-1-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[4-(oxiran-2-ylmethoxy)cyclohexen-1-yl]oxymethyl]oxirane
PubChem CID22186302
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name2-[[4-(oxiran-2-ylmethoxy)cyclohexen-1-yl]oxymethyl]oxirane
SMILESC1=C(OCC2CO2)CCC(OCC2CO2)C1
InChIInChI=1S/C12H18O4/c1-2-10(14-6-12-8-16-12)4-3-9(1)13-5-11-7-15-11/h1,10-12H,2-8H2
InChIKeyBBEAHXXUYVGKPR-UHFFFAOYSA-N
XLogP1.25
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexen-1-yl]propan-2-yl]cyclohex-3-en-1-yl]oxymethyl]oxirane
CID 87159679
2-[[4-[2-[4-[3-ethyl-1-(4-propan-2-ylcyclohex-3-en-1-yl)oxypentan-3-yl]oxycyclohexa-1,3-dien-1-yl]propan-2-yl]cyclohexa-1,3-dien-1-yl]oxymethyl]oxirane
CID 91231127
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexa-1,3-dien-1-yl]propan-2-yl]cyclohexa-1,3-dien-1-yl]oxymethyl]oxirane
CID 145238127
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
2-[(3,5-dibromophenoxy)methyl]oxirane
CID 101286971
2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane
CID 58519968
2-[[4-(4-fluorophenyl)cyclohexyl]oxymethyl]oxirane
CID 59790559
2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane
CID 167078198
(2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane
CID 129448945
2,4,6-tris[[(2S)-oxiran-2-yl]methoxy]-1,3,5-triazine
CID 90471145
2-[(3-methylcyclohexa-1,5-dien-1-yl)oxymethyl]oxirane
CID 130280449

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(oxiran-2-ylmethoxy)cyclohexen-1-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[4-(oxiran-2-ylmethoxy)cyclohexen-1-yl]oxymethyl]oxirane (CID 22186302) is 2-[[4-(oxiran-2-ylmethoxy)cyclohexen-1-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[4-(oxiran-2-ylmethoxy)cyclohexen-1-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[4-(oxiran-2-ylmethoxy)cyclohexen-1-yl]oxymethyl]oxirane is C1=C(OCC2CO2)CCC(OCC2CO2)C1.
What is the InChIKey of 2-[[4-(oxiran-2-ylmethoxy)cyclohexen-1-yl]oxymethyl]oxirane?
The InChIKey is BBEAHXXUYVGKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-2-10(14-6-12-8-16-12)4-3-9(1)13-5-11-7-15-11/h1,10-12H,2-8H2.
What are the key properties of 2-[[4-(oxiran-2-ylmethoxy)cyclohexen-1-yl]oxymethyl]oxirane?
2-[[4-(oxiran-2-ylmethoxy)cyclohexen-1-yl]oxymethyl]oxirane has a molecular weight of 226.27 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(oxiran-2-ylmethoxy)cyclohexen-1-yl]oxymethyl]oxirane is sourced from PubChem (CID 22186302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).